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BOC-L-Phenylalanine

BOC-L-Phenylalanine structure

BOC-L-Phenylalanine 

structure
  • CAS No:

    13734-34-4

  • Formula:

    C14H19NO4

  • Chemical Name:

    BOC-L-Phenylalanine

  • Synonyms:

    L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-;Alanine,N-carboxy-3-phenyl-,N-tert-butyl ester,L-;N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanine;N-(tert-Butyloxycarbonyl)-L-phenylalanine;tert-Butoxycarbonyl-L-phenylalanine;N-(tert-Butoxycarbonyl)phenylalanine;(tert-Butoxycarbonyl)phenylalanine;N-(tert-Butoxycarbonyl)-L-phenylalanine;N-(tert-Butyloxycarbonyl)phenylalanine;BOC-L-Phenylalanine;(S)-N-(tert-Butoxycarbonyl)phenylalanine;N-BOC-L-phenylalanine;N-(tert-Butoxycarbonyl)-(S)-phenylalanine;N-t-BOC-L-phenylalanine;N-BOC-phenylalanine;(2S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropionic acid;(2S)-2-(tert-Butoxycarbonylamino)-3-phenylpropanoic acid;NSC 111172;N-BOC-(S)-phenylalanine;(S)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropionic acid;(S)-N-Boc-phenylalanine;(S)-2-(tert-Butoxycarbonylamino)-3-phenylpropanoic acid;6: PN: RU2506269 PAGE: 13 claimed sequence;Boc-L-Phe-OH;(2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;(2S)-2-(tert-Butoxycarbonylamino)-3-phenyl-propanoic acid;(2S)-2-[[(tert-Butoxy)carbonyl]amino]-3-phenylpropanoic acid;92761-90-5

  • Categories:

    Pharmaceutical Intermediates  >  Antineoplastics

Description

N-(tert-Butoxycarbonyl)-L-phenylalanine is white fine crystalline powder

BOC-L-Phenylalanine Basic Attributes

265.3

265.30

2219729

237-305-5

111172

DTXSID90296718

29242990

Characteristics

75.6

2.2

White Fine Crystalline Powder

1.1356 (rough estimate)

79-80 °C @ Solvent: Ligroine, Ethyl acetate

408.52°C (rough estimate)

211.8±26.8 °C

24.5 ° (C=1, EtOH)

Soluble in methanol, dichloromethane, dimethylformamide and N-methyl-2-pyrrolidone.

-20°C

4.88E-08mmHg at 25°C

Safety Information

NONH for all modes of transport

3

36-22-36/37/38-20/21/22

39-26-36-24/25

Xn,Xi

Stable under normal temperatures and pressures.

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

BOC-L-Phenylalanine Use and Manufacturing

Methods of Manufacturing

L-Phenylalanine is suspended in dioxane solution, and acylated with tert-butoxycarbonyl azide to obtain crude product, which is obtained by ether extraction, acetic acid acidification and recrystallization purification.

Uses

Phenylalanine derivative used in enantioselective hydrolysis of amino acid esters. Acts as an inhibitor of gastric acid secretion.

Computed Properties

Molecular Weight:265.30
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:265.13140809
Monoisotopic Mass:265.13140809
Topological Polar Surface Area:75.6
Heavy Atom Count:19
Complexity:316
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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